{ "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" [ [ 0.4579011 -2.3581763 -0.5634608 ] [ -0.527616 2.0188418 3.9603042 ] [ 3.3630499 0.9325345 -1.8086108 ] [ -1.4515841 -0.7005887 -1.4540334 ] [ 1.2449231 1.2648012 -0.305291 ] [ -3.882265 0.8463297 -3.8829658 ] [ 3.9400346 0.8089634 1.6082244 ] [ -3.1444437 -2.8127056 2.4458332 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.33638437058603e-10 -3.778214935584646e-09 -9.027637204972646e-10 ] [ -8.453340199600128e-10 3.23454113305379e-09 6.345106800496048e-09 ] [ 5.388199924363778e-09 1.494084973989418e-09 -2.897713939886385e-09 ] [ -2.325694108145009e-09 -1.122466835936665e-09 -2.329618319342335e-09 ] [ 1.994586685513861e-09 2.026434912599785e-09 -4.891301027406528e-10 ] [ -6.220074218750112e-09 1.355969658828678e-09 -6.221197024125968e-09 ] [ 6.31263132126308e-09 1.296102246562879e-09 2.576659534680108e-09 ] [ -5.037954181561849e-09 -4.506451153513237e-09 3.918656771416451e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.213074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.161103404690034e-18 } }