{ "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" [ 5.46856 0 0 ] "si-unit" "m" "si-value" [ 5.46856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.109414 5.47364 0 ] "si-unit" "m" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0853482 0.188746 5.50226 ] "si-unit" "m" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9871095 -0.9151064 -0.5216438 ] [ -0.0237097 -0.0673223 1.5249636 ] [ 0.8955597 -0.6663479 -0.2810554 ] [ -0.6756441 0.1991852 -0.5375081 ] [ -0.2837971 -0.2481777 -1.2769791 ] [ 0.3574171 0.6475075 0.6622186 ] [ -0.0781487 -0.9034678 -0.9395718 ] [ 0.7954323 1.9537294 1.3695761 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.581523763069578e-09 -1.466162079624453e-09 -8.35765500745271e-10 ] [ -3.798712702618176e-11 -1.078622151184838e-10 2.443261027491003e-09 ] [ 1.434844813870662e-09 -1.067607026699176e-09 -4.503003910295923e-10 ] [ -1.082501181001457e-09 3.191298706493722e-10 -8.611829113106285e-10 ] [ -4.546930786708397e-10 -3.976245087439162e-10 -2.045946059270225e-09 ] [ 5.726453214941356e-10 1.037421378292656e-09 1.060991158778907e-09 ] [ -1.25208020085913e-10 -1.44751498680561e-09 -1.505359971522973e-09 ] [ 1.274423034489172e-09 3.130219568049612e-09 2.194302807826443e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.174383 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.552727802326497e-18 } }