{ "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" [ [ 1.9551172 0.0867274 2.5597052 ] [ -0.4881826 -0.7017223 -0.2664443 ] [ 1.9051507 1.7160883 0.5424242 ] [ -2.0925757 1.0295486 -4.2661814 ] [ 0.1248054 0.0155584 -0.4788322 ] [ -2.6814362 0.9698823 -0.9233824 ] [ 3.6452396 -2.5656561 2.2876787 ] [ -2.3681184 -0.5504266 0.5450321 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.132443068763958e-09 1.389526126627699e-10 4.101099827580188e-09 ] [ -7.821547484013582e-10 -1.124283063354004e-09 -4.268908282054215e-10 ] [ 3.052387910640755e-09 2.749476553488417e-09 8.690593717961434e-10 ] [ -3.352675863794194e-09 1.649518696897371e-09 -6.835176099171813e-09 ] [ 1.999602940295923e-10 2.492730473705472e-11 -7.671737561262298e-10 ] [ -4.296134389806793e-09 1.553922745987732e-09 -1.479421693338194e-09 ] [ 5.840317664334344e-09 -4.110634220432907e-09 3.665265329042137e-09 ] [ -3.794143935766303e-09 -8.818806299864333e-10 8.732376882055276e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.74878 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.727585953812262e-18 } }