{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6666186 -0.0731217 -3.1269539 ] [ 0.512756 0.7858898 1.7816992 ] [ -0.5237996 0.6498907 0.4557105 ] [ -0.253722 -0.6328531 0.6683618 ] [ -0.915615 0.3140314 1.5933038 ] [ 0.7056196 0.7785521 0.621019 ] [ -0.2051853 1.3886503 -1.8126125 ] [ 0.0133278 -3.2110395 -0.1805278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.068040735910427e-09 -1.171538782131513e-10 -5.009932432899382e-09 ] [ 8.215256753749248e-10 1.259134264085188e-09 2.854596803538064e-09 ] [ -8.392194731043918e-10 1.041239685615347e-09 7.301287089530784e-10 ] [ -4.065074565826176e-10 -1.013942441220804e-09 1.070833650195805e-09 ] [ -1.466976946653792e-09 5.031337672770932e-10 2.552754098191799e-09 ] [ 1.130527226298248e-09 1.247377972694744e-09 9.949821228725951e-10 ] [ -3.287430905918342e-10 2.224863045126906e-09 -2.90412537006984e-09 ] [ 2.135348956669824e-11 -5.144652415365322e-09 -2.892374205644582e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.615832 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.70628533607405e-18 } }