{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9303719 1.6895483 1.9249957 ] [ -0.9574757 0.8800368 -0.5360215 ] [ 0.0404478 -0.5153229 -1.1923121 ] [ 1.4990871 -0.8292081 -1.5790489 ] [ -0.0639666 1.5711607 0.0292113 ] [ 0.5111082 -1.5118426 -1.2207595 ] [ -0.0061729 0.3019694 4.1073208 ] [ -0.0926561 -1.5863416 -1.5333857 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.490620106829276e-09 2.706954785972384e-09 3.084183105680531e-09 ] [ -1.534045181524115e-09 1.409974386403646e-09 -8.588011155461473e-10 ] [ 6.480451952279424e-11 -8.256383025428564e-10 -1.910294571316952e-09 ] [ 2.401802304162872e-09 -1.328537831597988e-09 -2.529915230679957e-09 ] [ -1.024857910320653e-10 2.517276941059763e-09 4.680166192317504e-11 ] [ 8.188856087391706e-10 -2.422238868049486e-09 -1.955872330519498e-09 ] [ -9.89007606253632e-12 4.838083128770036e-10 6.580653359885553e-09 ] [ -1.484514371945069e-10 -2.541599424122465e-09 -2.456754719209043e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.096503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.584385630323706e-18 } }