{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8447228 1.8456285 2.191607 ] [ -1.4927808 1.1074307 -0.596333 ] [ 0.2011639 -0.464938 -0.9601514 ] [ 1.7887237 -0.9546059 -1.9461665 ] [ 0.0304092 1.3761264 0.8742198 ] [ 0.3476508 -1.8779452 -1.781609 ] [ 0.4946748 1.4527912 4.4641097 ] [ -0.5251188 -2.4844876 -2.2456766 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.353395121216714e-09 2.957022833382173e-09 3.511341497381626e-09 ] [ -2.39169849773912e-09 1.774299576696179e-09 -9.554307908115265e-10 ] [ 3.223000975289491e-10 -7.449127937215104e-10 -1.538332125508389e-09 ] [ 2.865851293210873e-09 -1.529447255057743e-09 -3.118102466484163e-09 ] [ 4.872090929723136e-11 2.204797545345669e-09 1.400654525000452e-09 ] [ 5.569979839624166e-10 -3.00879989458358e-09 -2.854452287206867e-09 ] [ 7.925563994589159e-10 2.327628095543977e-09 7.152292194026502e-09 ] [ -8.413330645025511e-10 -3.980587947387502e-09 -3.597970546397633e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.757594 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.728998112285835e-18 } }