{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5988617 -4.6363657 1.2331963 ] [ -0.5353843 2.2716658 5.0094083 ] [ 3.0315753 0.8331987 -2.0195342 ] [ -2.0495811 -0.4468224 -2.2903388 ] [ 2.1012967 0.7914977 0.0015787 ] [ -6.8887025 3.2212682 -5.6711864 ] [ 4.3670379 1.1258239 1.5028722 ] [ -3.6251037 -3.1602662 2.2340038 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.766012077232544e-09 -7.428276730019026e-09 1.975798280717063e-09 ] [ -8.577802086033735e-10 3.639609835030929e-09 8.025956862301473e-09 ] [ 4.857119069854747e-09 1.334931477620953e-09 -3.235650480146031e-09 ] [ -3.283790920853547e-09 -7.158884029297459e-10 -3.669527279071127e-09 ] [ 3.366648446104191e-09 1.268119110356972e-09 2.52935623125696e-12 ] [ -1.103691809314651e-08 5.161040599366498e-09 -9.086242262278917e-09 ] [ 6.996766025527528e-09 1.803768731717877e-09 2.407866702890262e-09 ] [ -5.808056396115577e-09 -5.063304621144457e-09 3.579268659138359e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.600682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.062987390173539e-18 } }