{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.014817 0.703572 0.438359 ] [ 0.514817 0.296428 0.561641 ] [ 0.514817 0.796428 0.938359 ] [ 0.014817 0.203572 0.061641 ] [ 0.259116 0.703554 0.147259 ] [ 0.759116 0.296446 0.852741 ] [ 0.759116 0.796446 0.647259 ] [ 0.259116 0.203554 0.352741 ] [ 0.26661 0.961411 0.247168 ] [ 0.76661 0.038589 0.752832 ] [ 0.76661 0.538589 0.747168 ] [ 0.26661 0.461411 0.252832 ] [ 0.259338 0.795732 0.647002 ] [ 0.759338 0.204268 0.352998 ] [ 0.759338 0.704268 0.147002 ] [ 0.259338 0.295732 0.852998 ] [ 0.512132 0.963043 0.144093 ] [ 0.012132 0.036957 0.855907 ] [ 0.012132 0.536957 0.644093 ] [ 0.512132 0.463043 0.355907 ] [ 0.513361 0.946356 0.349045 ] [ 0.013361 0.053644 0.650955 ] [ 0.013361 0.553644 0.849045 ] [ 0.513361 0.446356 0.150955 ] [ 0.002202 0.711037 0.250449 ] [ 0.502202 0.288963 0.749551 ] [ 0.502202 0.788963 0.750449 ] [ 0.002202 0.211037 0.249551 ] [ 0.006923 0.690734 0.045199 ] [ 0.506923 0.309266 0.954801 ] [ 0.506923 0.809266 0.545199 ] [ 0.006923 0.190734 0.454801 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Nb" "Nb" "Nb" "Nb" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.0576522 "source-unit" "angstrom" } "b" { "source-value" 8.34499565 "source-unit" "angstrom" } "c" { "source-value" 21.03435105 "source-unit" "angstrom" } }