{ "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" [ 5.46308 0 0 ] "si-unit" "m" "si-value" [ 5.46308e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0404011 5.38219 0 ] "si-unit" "m" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0107061 -0.144189 5.56456 ] "si-unit" "m" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0957934 0.00987827 -0.0909378 ] [ 1.38627 1.24986 1.3117 ] [ -0.0751597 2.80438 2.76133 ] [ 1.36904 3.93592 4.18176 ] [ 2.71956 -0.067532 2.7564 ] [ 4.08015 1.26891 4.08099 ] [ 2.56948 2.74723 0.13466 ] [ 4.07358 4.09238 1.48906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.579340000000001e-12 9.87827e-13 -9.09378e-12 ] [ 1.38627e-10 1.24986e-10 1.3117e-10 ] [ -7.51597e-12 2.80438e-10 2.76133e-10 ] [ 1.36904e-10 3.93592e-10 4.18176e-10 ] [ 2.71956e-10 -6.7532e-12 2.7564e-10 ] [ 4.08015e-10 1.26891e-10 4.08099e-10 ] [ 2.56948e-10 2.74723e-10 1.3466e-11 ] [ 4.07358e-10 4.092380000000001e-10 1.48906e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4591813 0.0629083 0.5205746 ] [ -2.6608363 1.2032728 2.1719157 ] [ 1.8263721 -3.5380974 -0.8277963 ] [ -0.3487988 0.6775724 -0.0140308 ] [ -0.4951268 0.4858487 0.5002741 ] [ -1.3659816 2.0752705 1.8527429 ] [ 3.2906597 -0.672712 -2.1605845 ] [ -0.7054697 -0.2940633 -2.0430957 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.356895496297442e-10 1.007902083446622e-10 8.340524603738963e-10 ] [ -4.263129746759014e-09 1.927855564487755e-09 3.479792585557754e-09 ] [ 2.926170703609511e-09 -5.668656983096151e-09 -1.326275889571654e-09 ] [ -5.588372873272392e-10 1.085590667123301e-09 -2.24798199163272e-11 ] [ -7.93280589827191e-10 7.784154347992759e-10 8.015274736153794e-10 ] [ -2.188543801993934e-09 3.324949904329496e-09 2.968421383189398e-09 ] [ 5.272218081785449e-09 -1.077803447811408e-09 -3.461638001682573e-09 ] [ -1.13028706933499e-09 -4.711413481769322e-10 -3.273400191565873e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.999104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.767692327373594e-18 } }