{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5612e-10 0.0 0.0 ] "source-value" [ 5.5612 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] "source-value" [ -0.0917257 5.43287 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] "source-value" [ -0.0143429 0.0662566 5.45634 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -9.368340063385767e-10 -2.179594666229837e-10 3.640166110753671e-10 ] [ 1.761927088177375e-09 1.473654658591624e-09 -3.069405910271568e-09 ] [ -3.577782960757891e-09 8.314710265308787e-10 -1.886980658437043e-09 ] [ 6.689954169391853e-10 2.393484444018326e-09 1.536570692531482e-10 ] [ 5.017840936917312e-11 3.212386555176691e-10 2.50767445570066e-09 ] [ -8.287687954422374e-10 -4.636269757260825e-10 -4.342361671411412e-10 ] [ 1.117749867747368e-09 -2.767986820423843e-09 2.622986151235215e-09 ] [ 1.744535140523267e-09 -1.570275521885589e-09 -2.577115514146387e-10 ] ] "source-value" [ [ -0.5847257999999999 -0.13603959999999998 0.22720129999999997 ] [ 1.0997083999999997 0.9197828999999998 -1.9157724999999999 ] [ -2.2330764999999997 0.5189633999999999 -1.1777606999999999 ] [ 0.41755409999999993 1.4938954999999998 0.09590519999999998 ] [ 0.03131889999999999 0.20050139999999997 1.5651672999999997 ] [ -0.5172767999999999 -0.28937319999999994 -0.27102889999999996 ] [ 0.6976445999999998 -1.7276414999999998 1.6371391999999998 ] [ 1.0888531999999997 -0.9800888999999999 -0.16085089999999996 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.058638942775747e-18 "source-value" -25.332032 } }