{ "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" [ 5.42981 0 0 ] "si-unit" "m" "si-value" [ 5.42981e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0370196 5.47054 0 ] "si-unit" "m" "si-value" [ 3.70196e-12 5.47054e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0339139 -0.0143321 5.52419 ] "si-unit" "m" "si-value" [ -3.39139e-12 -1.43321e-12 5.52419e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0865271 0.0202603 -0.0485063 ] [ 1.27669 1.31148 1.22292 ] [ -0.0137625 2.6467 2.79128 ] [ 1.29807 4.01993 4.311 ] [ 2.70854 -0.0697941 2.82717 ] [ 4.06866 1.27154 4.01384 ] [ 2.71531 2.7055 0.0603487 ] [ 4.06455 4.01651 1.33765 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.65271e-12 2.02603e-12 -4.850630000000001e-12 ] [ 1.27669e-10 1.31148e-10 1.22292e-10 ] [ -1.37625e-12 2.6467e-10 2.79128e-10 ] [ 1.29807e-10 4.019929999999999e-10 4.311e-10 ] [ 2.70854e-10 -6.97941e-12 2.82717e-10 ] [ 4.06866e-10 1.27154e-10 4.01384e-10 ] [ 2.71531e-10 2.7055e-10 6.03487e-12 ] [ 4.06455e-10 4.016510000000001e-10 1.33765e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7261229 -1.1272274 0.0469272 ] [ 1.6653668 0.398819 3.0561993 ] [ 0.3283897 0.5411883 -0.9697707 ] [ 1.0806478 -0.0135923 -2.1848834 ] [ -1.5930245 -0.6716873 -1.5103439 ] [ -0.2759917 0.8503269 2.0898781 ] [ 0.507371 -1.1721635 -1.4038149 ] [ 1.0133638 1.1943362 0.8758082 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.367730411792318e-09 -1.806017401484571e-09 7.518566333904479e-11 ] [ 2.668211773999351e-09 6.389784829952459e-10 4.896571107307155e-09 ] [ 5.261383041862698e-10 8.67079248854182e-10 -1.553743955877824e-09 ] [ 1.731388654743505e-09 -2.17772654623182e-11 -3.500569131494475e-09 ] [ -2.552306631289533e-09 -1.076161697414548e-09 -2.419837705884432e-09 ] [ -4.421874529179377e-10 1.362373890441654e-09 3.348353859728315e-09 ] [ 8.12897960969214e-10 -1.878012970927659e-09 -2.249159431241046e-09 ] [ 1.623587802101449e-09 1.913537552780351e-09 1.403199433905599e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.56860029230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.53850036584142e-18 } }