{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1719295 1.2017502 -2.4868554 ] [ -0.8080615 0.3494207 0.4410702 ] [ -0.6911599 -0.9030715 -1.5247526 ] [ -1.4957552 -1.0563477 3.6696465 ] [ 3.6866028 1.8455542 -2.201761 ] [ -0.2597893 -1.7982861 -0.1909989 ] [ -0.0961702 0.8459177 0.2033492 ] [ -1.5075963 -0.4849376 2.090302 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.877638046125834e-09 1.925416074481724e-09 -3.984381581190233e-09 ] [ -1.294657243468579e-09 5.598336763635705e-10 7.066723625715802e-10 ] [ -1.107360233014466e-09 -1.446880044210787e-09 -2.442922968224014e-09 ] [ -2.396464011880029e-09 -1.692455588375852e-09 5.879421828900546e-09 ] [ 5.906588816335819e-09 2.956903791659248e-09 -3.527609998789229e-09 ] [ -4.162283427939974e-10 -2.881171946929611e-09 -3.060139721785172e-10 ] [ -1.540816460576602e-10 1.355309562060908e-09 3.258013340983834e-10 ] [ -2.415435545464583e-09 -7.769556852668621e-10 3.349032994811482e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.667382 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.714544556554275e-18 } }