{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3670528 0.1496668 1.72778 ] [ -0.4107718 -0.4394934 -0.2259345 ] [ 1.4613346 1.3687817 0.6171071 ] [ -1.3500907 0.3520481 -2.7723211 ] [ 0.1375664 0.0279313 -0.271646 ] [ -1.8830209 0.5518193 -0.5742317 ] [ 2.6108894 -1.6915631 1.1626131 ] [ -1.9329598 -0.3191907 0.3366331 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.190260035559178e-09 2.397926478699494e-10 2.768208721885824e-09 ] [ -6.581289744439335e-10 -7.041460504759026e-10 -3.619869737321376e-10 ] [ 2.34131613128612e-09 2.19303003871888e-09 9.887145681496876e-10 ] [ -2.163083755499506e-09 5.640432352170604e-10 -4.441748051770539e-09 ] [ 2.204056698876211e-10 4.475087584855105e-11 -4.352248703338368e-10 ] [ -3.016932062457775e-09 8.841119813662214e-10 -9.200206046622393e-10 ] [ 4.18310595617454e-09 -2.710182851427972e-09 1.862711527855813e-09 ] [ -3.096943000506244e-09 -5.113998771167866e-10 5.393456826074285e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -27.339356 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.38024770109282e-18 } }