{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.7354737 0.237117 -1.2933425999999997 ] [ -0.3598575 -1.141564 0.5690959999999999 ] [ 0.5020498 0.4596133 1.6252405999999997 ] [ -3.5256465 -2.7087781 3.4116584999999997 ] [ 1.849042 3.5384949 -1.3878830999999998 ] [ -1.6582757 0.8594211 -1.8570368999999998 ] [ -0.6911299 -0.6129544 -2.8010860999999996 ] [ -0.8516559 -0.6313496 1.7333535999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.587065250553273e-09 3.799033137942336e-10 -2.072163276404686e-09 ] [ -5.765552733195359e-10 -1.828987151946931e-09 9.117923061907966e-10 ] [ 8.043724520373158e-10 7.363816838687367e-10 2.603922492494964e-09 ] [ -5.648708395505347e-09 -4.339940942755044e-09 5.466079486853596e-09 ] [ 2.962491863277274e-09 5.669293801600033e-09 -2.223633855223429e-09 ] [ -2.656850557380755e-09 1.376944393842219e-09 -2.975301105142907e-09 ] [ -1.107312167715842e-09 -9.820612092964914e-10 -4.487834662267851e-09 ] [ -1.364503171946383e-09 -1.011533568671432e-09 2.777138613499515e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.389146 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.669966235127783e-18 } }