{ "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" [ 5.40884 0 0 ] "si-unit" "m" "si-value" [ 5.40884e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0760511 5.4684 0 ] "si-unit" "m" "si-value" [ 7.60511e-12 5.4684e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0640574 0.226818 5.41063 ] "si-unit" "m" "si-value" [ 6.40574e-12 2.26818e-11 5.41063e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00830896 0.0131794 0.144184 ] [ 1.38941 1.30499 1.31845 ] [ 0.000666759 2.66681 2.72971 ] [ 1.38566 4.09949 4.22322 ] [ 2.74889 -0.0321093 2.66684 ] [ 4.05308 1.21875 4.179 ] [ 2.6535 2.74282 -0.0977168 ] [ 4.21539 3.9917 1.44444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.308960000000001e-13 1.31794e-12 1.44184e-11 ] [ 1.38941e-10 1.30499e-10 1.31845e-10 ] [ 6.667589999999999e-14 2.66681e-10 2.72971e-10 ] [ 1.38566e-10 4.099490000000001e-10 4.223220000000001e-10 ] [ 2.74889e-10 -3.21093e-12 2.66684e-10 ] [ 4.05308e-10 1.21875e-10 4.179e-10 ] [ 2.6535e-10 2.74282e-10 -9.771680000000001e-12 ] [ 4.21539e-10 3.9917e-10 1.44444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7267407 -2.9092288 -0.4646166 ] [ 0.1484135 1.4793311 0.8834357 ] [ 1.6008687 -0.8678445 2.1622833 ] [ -1.5468279 2.2578687 -3.5297585 ] [ -0.9326085 -1.3686152 1.6601489 ] [ -0.7805522 3.197092 -1.579896 ] [ 3.2758532 -2.197939 2.8969728 ] [ -2.4918876 0.4093358 -2.0285696 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.164366958923827e-09 -4.661098367918039e-09 -7.443978541555853e-10 ] [ 2.377846399111008e-10 2.370149702842347e-09 1.415420024520082e-09 ] [ 2.564874404110489e-09 -1.390440168389866e-09 3.464359750806273e-09 ] [ -2.478291497781161e-09 3.617504443976089e-09 -5.655296545770077e-09 ] [ -1.494203535059357e-09 -2.192763276311516e-09 2.659851754626837e-09 ] [ -1.250582486154006e-09 5.122306056946714e-09 -2.531272434495437e-09 ] [ 5.248495410212866e-09 -3.521486479744531e-09 4.641462091253515e-09 ] [ -3.992444054381422e-09 6.558282488164647e-10 -3.250126786785608e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.387221 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.669657816128279e-18 } }