{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0124746 0.5278394 4.2215952 ] [ -2.8313982 2.239627 -4.0380413 ] [ -0.1740963 0.2053256 1.1265713 ] [ -6.8673317 3.100837 -7.1446535 ] [ 1.3322325 -2.5241792 1.8503131 ] [ 0.6104273 1.1107391 -1.5608823 ] [ 4.5375943 -6.5941051 4.979732 ] [ 3.4050468 1.9339161 0.5653655 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.998651247383168e-11 8.456919462170995e-10 6.763741131921501e-09 ] [ -4.536400000215203e-09 3.588278018712442e-09 -6.469655364684839e-09 ] [ -2.789330216277831e-10 3.289678759717325e-10 1.804966198524263e-09 ] [ -1.100267829701872e-08 4.968088546311609e-09 -1.144699680141689e-08 ] [ 2.134471764969936e-09 -4.044180900949647e-09 2.964528389979973e-09 ] [ 9.780123487580679e-10 1.779600217828433e-09 -2.500809128880532e-09 ] [ 7.270027502135342e-09 -1.056492102631805e-08 7.978410188249627e-09 ] [ 5.455486375689854e-09 3.098475162008715e-09 9.058153863069024e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.368326038775916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.821406619695865e-18 } }