{ "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" [ 5.39854 0 0 ] "si-unit" "m" "si-value" [ 5.39854e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0197648 5.43736 0 ] "si-unit" "m" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0299081 -0.213673 5.1785 ] "si-unit" "m" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.6511751 13.1557256 -0.4994586 ] [ -35.846369 36.413179 -54.7540438 ] [ -8.6614839 8.102374 9.5068884 ] [ -3.3660582 4.5290017 -12.5992803 ] [ 45.1344764 -45.1768079 47.2176794 ] [ 5.4789515 -4.7409144 -4.8330475 ] [ 0.2153252 -3.8438642 9.6052062 ] [ -10.606017 -8.4386938 6.3560563 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.22585338668671e-08 2.107779598598006e-08 -8.002208919774988e-10 ] [ -5.743221435236988e-08 5.834034408280552e-08 -8.772564887061918e-08 ] [ -1.387722700601561e-08 1.298143419577778e-08 1.523171433103472e-08 ] [ -5.39301975229213e-09 7.256260639303455e-09 -2.018627233556601e-08 ] [ 7.231340288012934e-08 -7.238122541975275e-08 7.565106202310978e-08 ] [ 8.778247999797092e-09 -7.59578221289406e-09 -7.743395711715889e-09 ] [ 3.449890013090842e-10 -6.158549354770096e-09 1.538923681160321e-08 ] [ -1.699271247720735e-08 -1.352027791644991e-08 1.018352480434855e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -53.541965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.578368455469187e-18 } }