{ "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" [ 5.40884 0 0 ] "si-unit" "m" "si-value" [ 5.40884e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0760511 5.4684 0 ] "si-unit" "m" "si-value" [ 7.60511e-12 5.4684e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0640574 0.226818 5.41063 ] "si-unit" "m" "si-value" [ 6.40574e-12 2.26818e-11 5.41063e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00830896 0.0131794 0.144184 ] [ 1.38941 1.30499 1.31845 ] [ 0.000666759 2.66681 2.72971 ] [ 1.38566 4.09949 4.22322 ] [ 2.74889 -0.0321093 2.66684 ] [ 4.05308 1.21875 4.179 ] [ 2.6535 2.74282 -0.0977168 ] [ 4.21539 3.9917 1.44444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.308960000000001e-13 1.31794e-12 1.44184e-11 ] [ 1.38941e-10 1.30499e-10 1.31845e-10 ] [ 6.667589999999999e-14 2.66681e-10 2.72971e-10 ] [ 1.38566e-10 4.099490000000001e-10 4.223220000000001e-10 ] [ 2.74889e-10 -3.21093e-12 2.66684e-10 ] [ 4.05308e-10 1.21875e-10 4.179e-10 ] [ 2.6535e-10 2.74282e-10 -9.771680000000001e-12 ] [ 4.21539e-10 3.9917e-10 1.44444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9820183 -0.5058841 0.0237543 ] [ 1.3306535 1.2299401 1.1959428 ] [ 1.2628567 -1.097177 2.2178452 ] [ -2.8436232 1.575088 -2.6469389 ] [ -0.9644285 -0.4900384 0.342644 ] [ -1.8689809 0.7631949 -0.7683218 ] [ 3.7578938 -0.2471807 0.8750346 ] [ -1.6563896 -1.2279428 -1.2399602 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.573366761457761e-09 -8.105156778544492e-10 3.805858410346944e-11 ] [ 2.131941928085693e-09 1.970581273204414e-09 1.916111593974091e-09 ] [ 2.023319480160639e-09 -1.757871338279482e-09 3.553379727993501e-09 ] [ -4.555986609404483e-09 2.523569169302631e-09 -4.240863622266068e-09 ] [ -1.545184795133213e-09 -7.851280677742387e-10 5.489762060573952e-10 ] [ -2.994437502701743e-09 1.222773025893794e-09 -1.230987225210974e-09 ] [ 6.020809589809272e-09 -3.960271386529786e-10 1.40195997851108e-09 ] [ -2.653828692056264e-09 -1.96738124583969e-09 -1.986635243162492e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -218.40253 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.499194274895707e-17 } }