{ "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" [ 5.37928 0 0 ] "si-unit" "m" "si-value" [ 5.37928e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.109609 5.36452 0 ] "si-unit" "m" "si-value" [ -1.09609e-11 5.36452e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.116688 0.583163 5.41925 ] "si-unit" "m" "si-value" [ -1.16688e-11 5.83163e-11 5.41925e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.149607 0.163517 0.168021 ] [ 1.37749 1.37328 1.35818 ] [ 0.000964456 2.92001 2.60942 ] [ 1.4682 4.32928 3.69686 ] [ 2.55926 -0.0770152 2.34173 ] [ 4.30694 1.43375 4.42217 ] [ 2.84059 2.75554 0.271651 ] [ 3.86093 4.12935 1.26521 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.49607e-11 1.63517e-11 1.68021e-11 ] [ 1.37749e-10 1.37328e-10 1.35818e-10 ] [ 9.64456e-14 2.92001e-10 2.60942e-10 ] [ 1.4682e-10 4.32928e-10 3.69686e-10 ] [ 2.55926e-10 -7.70152e-12 2.34173e-10 ] [ 4.30694e-10 1.43375e-10 4.422170000000001e-10 ] [ 2.84059e-10 2.75554e-10 2.71651e-11 ] [ 3.86093e-10 4.12935e-10 1.26521e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 308.61512759999994 -265.4070287999999 428.61761599999994 ] [ -24.329779899999995 -5.238097999999999 -18.142916499999995 ] [ -22.220779199999996 -46.31778889999999 61.41451219999999 ] [ -30.766170499999998 -25.280449599999997 46.60774949999999 ] [ 47.60899959999999 37.52126249999999 -2.8861503999999996 ] [ -330.77092819999996 329.84338249999996 -458.77200469999997 ] [ 17.288849899999995 -61.87421259999999 -56.88912919999999 ] [ 34.57468059999999 36.75293289999999 0.050323099999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.944559422659287e-07 -4.252289365393522e-07 6.86721123618232e-07 ] [ -3.898060454498975e-08 -8.392358153059237e-09 -2.906815664942656e-08 ] [ -3.560161293019892e-08 -7.420927850272974e-08 9.839689562467636e-08 ] [ -4.929283908664664e-08 -4.050374531243271e-08 7.467384659700287e-08 ] [ 7.627802609879654e-08 6.011568956039975e-08 -4.624122694992568e-09 ] [ -5.299534480023554e-07 5.284673559670918e-07 -7.350337802078877e-07 ] [ 2.769979111030041e-08 -9.913341685812878e-08 -9.11464327819106e-08 ] [ 5.539474492894731e-08 5.888468983821113e-08 8.062649430618047e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 86.053042 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.378721720411205e-17 } }