{ "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" [ [ 0.5391454 -0.2805064 0.0314715 ] [ 0.7121662 0.6513601 0.7491866 ] [ 0.6961237 -0.5892824 1.1484725 ] [ -1.8331517 1.0924621 -1.7523683 ] [ -0.432227 -0.2236368 0.1901503 ] [ -1.0531616 0.4287377 -0.5888643 ] [ 2.2957465 -0.4977406 0.7560361 ] [ -0.9246416 -0.5813938 -0.5340845 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.638061550918644e-10 -4.494207960647731e-10 5.04229015215072e-11 ] [ 1.141016035763977e-09 1.04359392394195e-09 1.200329255136641e-09 ] [ 1.115313117324793e-09 -9.44134484328914e-10 1.840055789131728e-09 ] [ -2.937032796119775e-09 1.750317235730072e-09 -2.807603521291041e-09 ] [ -6.925039942785216e-10 -3.583056525105254e-10 3.046543650981062e-10 ] [ -1.687350893444321e-09 6.869135193955643e-10 -9.434646142837575e-10 ] [ 3.678191369583427e-09 -7.974683525429645e-10 1.211303363900811e-09 ] [ -1.481439154139105e-09 -9.31495553838071e-10 -8.556976994316576e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 654.68788 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.048925615257116e-16 } }