{ "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" [ [ 1.9684822 -1.500256 0.4928716 ] [ -0.9149733 3.5969425 6.628154 ] [ 1.4620246 -1.0592972 -3.4516965 ] [ -2.2909944 -0.298353 -4.2178215 ] [ 3.3726471 0.7696386 0.9355428 ] [ -2.9491332 0.3069499 -1.2854909 ] [ 2.5578584 1.5347237 0.8670108 ] [ -3.2059114 -3.3503485 0.0314297 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.15385615930095e-09 -2.403675088414925e-09 7.896673545762893e-10 ] [ -1.465948829916225e-09 5.762937179861904e-09 1.0619473377862e-08 ] [ 2.342421633154471e-09 -1.697181208318902e-09 -5.530227434397188e-09 ] [ -3.670577666063724e-09 -4.780142013455424e-10 -6.757694998007588e-09 ] [ 5.403576333828919e-09 1.233096971385243e-09 1.49890480191777e-09 ] [ -4.725032264665091e-09 4.917879535368979e-10 -2.059583466231151e-09 ] [ 4.098140927796895e-09 2.458898431527673e-09 1.389104433741105e-09 ] [ -5.136436293436198e-09 -5.367850038232349e-09 5.035593053875776e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -220.60764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.53452403177863e-17 } }