{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0005110000000000001 1.3672578000000002 -0.7177051000000001 ] [ -2.5484449000000002 0.21332280000000006 -1.5824452000000004 ] [ 2.6744620000000006 -1.2056052000000002 0.8451644000000003 ] [ 0.5819686000000001 -4.366805900000001 0.7240520000000001 ] [ -0.7308767000000002 -0.11037550000000003 1.2200467000000002 ] [ -0.8713630000000002 1.4764403000000001 4.483674700000001 ] [ 0.5230975000000001 2.0127694000000003 -4.582080900000001 ] [ 0.37166760000000004 0.6129963000000002 -0.3907065000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.187122532288001e-13 2.190588481766442e-09 -1.149890331848926e-09 ] [ -4.083058838176995e-09 3.417808028435943e-10 -2.535356703137181e-09 ] [ 4.28496048961801e-09 -1.931592465354909e-09 1.35410264241246e-09 ] [ 9.32416484959707e-10 -6.996394320551505e-09 1.160059186643482e-09 ] [ -1.170993561427455e-09 -1.768410456091105e-10 1.954730299024192e-09 ] [ -1.396077426830151e-09 2.365518130666938e-09 7.183638779612455e-09 ] [ 8.380945848989283e-10 3.224812075741644e-09 -7.341302892594225e-09 ] [ 5.954771394288462e-10 9.821283404969034e-10 -6.259808198945955e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -216.54631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.469454352025093e-17 } }