{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.20026350000000007 -0.040414200000000004 -0.5822191000000001 ] [ -1.4059259000000002 -0.6640994000000001 0.7101434000000001 ] [ 0.27379990000000004 -1.1770051000000001 -0.23256560000000007 ] [ -1.0125845000000002 -0.8666999000000002 1.6126977000000005 ] [ 0.7169670000000001 0.9733271000000002 -1.1654903000000003 ] [ 0.20696350000000005 0.9490315000000002 1.5239902000000005 ] [ 1.1621905000000001 0.5084475000000002 -0.8454889000000002 ] [ -0.14167400000000002 0.31741250000000004 -1.0210675000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.208574976995809e-10 -6.475068638833538e-11 -9.328178302032175e-10 ] [ -2.252541607557199e-09 -1.064004532567308e-09 1.137775152895423e-09 ] [ 4.38675798557378e-10 -1.885770053782366e-09 -3.726111671223246e-10 ] [ -1.622339212484458e-09 -1.388606317029698e-09 2.583826551357933e-09 ] [ 1.148707765285114e-09 1.559441924011064e-09 -1.867321310429178e-09 ] [ 3.315920810589409e-10 1.520516081702756e-09 2.441701468768317e-09 ] [ 1.862034448015863e-09 8.146226974042082e-10 -1.354622548725909e-09 ] [ -2.269867705752192e-10 5.085508866496801e-10 -1.635930476758704e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.522405 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.851534342638903e-18 } }