{ "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" [ 5.52208 0 0 ] "si-unit" "m" "si-value" [ 5.52208e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968577 5.45697 0 ] "si-unit" "m" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.137264 0.147448 5.57607 ] "si-unit" "m" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5106855 -0.5031334 0.83873 ] [ -0.8402099 0.9889651 -0.0937052 ] [ 1.3218074 -0.8834689 -0.1378985 ] [ 0.8889593 -1.0798724 0.4668972 ] [ 0.5880207 -0.3345249 0.2639136 ] [ -1.5802313 0.976344 0.2373319 ] [ -0.0319224 0.4697576 -0.4946272 ] [ -0.8571093 0.365933 -1.0806418 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.182083754226069e-10 -8.061085772649754e-10 1.34379360823482e-09 ] [ -1.346164669435476e-09 1.584496775061473e-09 -1.501322819242968e-10 ] [ 2.117768930928291e-09 -1.415473228445682e-09 -2.20937754563649e-10 ] [ 1.424269819036996e-09 -1.730146326981501e-09 7.480517843200247e-10 ] [ 9.421130258483237e-10 -5.359679782711866e-10 4.228362033148224e-10 ] [ -2.531809665175444e-09 1.564275543546096e-09 3.802476246828246e-10 ] [ -5.114532338120159e-11 7.526346503639184e-10 -7.924801423808447e-10 ] [ -1.373240493244096e-09 5.862893022095219e-10 -1.731379041683701e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.8471836015624774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.357337771131367e-19 } }