{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fdd2" } "basis-atom-coordinates" { "source-value" [ [ 0.233557 0.476831 0.422385 ] [ 0.266443 0.476831 0.077615 ] [ 0.516443 0.726831 0.172385 ] [ 0.983557 0.726831 0.327615 ] [ 0.233557 0.976831 0.922385 ] [ 0.266443 0.976831 0.577615 ] [ 0.516443 0.226831 0.672385 ] [ 0.983557 0.226831 0.827615 ] [ 0.733557 0.976831 0.422385 ] [ 0.766443 0.976831 0.077615 ] [ 0.016443 0.226831 0.172385 ] [ 0.483557 0.226831 0.327615 ] [ 0.733557 0.476831 0.922385 ] [ 0.766443 0.476831 0.577615 ] [ 0.016443 0.726831 0.672385 ] [ 0.483557 0.726831 0.827615 ] [ 0 0.748569 0.5 ] [ 0.25 0.498569 0.25 ] [ 0 0.248569 0 ] [ 0.25 0.998569 0.75 ] [ 0.5 0.248569 0.5 ] [ 0.75 0.998569 0.25 ] [ 0.5 0.748569 0 ] [ 0.75 0.498569 0.75 ] [ 0.71358 0.523269 0.416752 ] [ 0.78642 0.523269 0.083248 ] [ 0.53642 0.273269 0.166752 ] [ 0.96358 0.273269 0.333248 ] [ 0.71358 0.023269 0.916752 ] [ 0.78642 0.023269 0.583248 ] [ 0.53642 0.773269 0.666752 ] [ 0.96358 0.773269 0.833248 ] [ 0.21358 0.023269 0.416752 ] [ 0.28642 0.023269 0.083248 ] [ 0.03642 0.773269 0.166752 ] [ 0.46358 0.773269 0.333248 ] [ 0.21358 0.523269 0.916752 ] [ 0.28642 0.523269 0.583248 ] [ 0.03642 0.273269 0.666752 ] [ 0.46358 0.273269 0.833248 ] [ 0.781168 0.603241 0.482056 ] [ 0.718832 0.603241 0.017944 ] [ 0.468832 0.353241 0.232056 ] [ 0.031168 0.353241 0.267944 ] [ 0.899425 0.44139 0.379559 ] [ 0.600575 0.44139 0.120441 ] [ 0.350575 0.19139 0.129559 ] [ 0.149425 0.19139 0.370441 ] [ 0.047479 0.878885 0.421849 ] [ 0.452521 0.878885 0.078151 ] [ 0.297479 0.628885 0.328151 ] [ 0.202521 0.628885 0.171849 ] [ 0.781168 0.103241 0.982056 ] [ 0.718832 0.103241 0.517944 ] [ 0.468832 0.853241 0.732056 ] [ 0.031168 0.853241 0.767944 ] [ 0.899425 0.94139 0.879559 ] [ 0.600575 0.94139 0.620441 ] [ 0.350575 0.69139 0.629559 ] [ 0.149425 0.69139 0.870441 ] [ 0.047479 0.378885 0.921849 ] [ 0.452521 0.378885 0.578151 ] [ 0.297479 0.128885 0.828151 ] [ 0.202521 0.128885 0.671849 ] [ 0.281168 0.103241 0.482056 ] [ 0.218832 0.103241 0.017944 ] [ 0.968832 0.853241 0.232056 ] [ 0.531168 0.853241 0.267944 ] [ 0.399425 0.94139 0.379559 ] [ 0.100575 0.94139 0.120441 ] [ 0.850575 0.69139 0.129559 ] [ 0.649425 0.69139 0.370441 ] [ 0.547479 0.378885 0.421849 ] [ 0.952521 0.378885 0.078151 ] [ 0.797479 0.128885 0.328151 ] [ 0.702521 0.128885 0.171849 ] [ 0.281168 0.603241 0.982056 ] [ 0.218832 0.603241 0.517944 ] [ 0.968832 0.353241 0.732056 ] [ 0.531168 0.353241 0.767944 ] [ 0.399425 0.44139 0.879559 ] [ 0.100575 0.44139 0.620441 ] [ 0.850575 0.19139 0.629559 ] [ 0.649425 0.19139 0.870441 ] [ 0.547479 0.878885 0.921849 ] [ 0.952521 0.878885 0.578151 ] [ 0.797479 0.628885 0.828151 ] [ 0.702521 0.628885 0.671849 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.21377437 "source-unit" "angstrom" } "b" { "source-value" 7.5481026 "source-unit" "angstrom" } "c" { "source-value" 21.65831287 "source-unit" "angstrom" } }