{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.49944660000000013 1.5623774000000004 -1.1031112000000003 ] [ 0.5678465000000001 0.35680950000000006 0.3890913000000001 ] [ 1.1702566000000003 1.4143048000000003 -2.5158631000000002 ] [ 0.9134748000000003 -0.14370640000000004 0.6291548000000001 ] [ -0.6465955000000001 -0.8518594000000003 -1.7671258000000005 ] [ -0.4095494000000001 -1.5618725000000004 2.7115380000000004 ] [ -1.5321852000000005 -0.6804405000000001 -1.2299172000000003 ] [ -0.5626945000000001 -0.09561290000000003 2.8862332000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.002016658580495e-10 2.50320454314629e-09 -1.767378974782634e-09 ] [ 9.097903865031075e-10 5.716718389793377e-10 6.233929842166792e-10 ] [ 1.874957764856898e-09 2.265966085245221e-09 -4.030857039953413e-09 ] [ 1.463547968249956e-09 -2.302430343393332e-10 1.0080171114241e-09 ] [ -1.035960193214487e-09 -1.364829214888716e-09 -2.831247642772498e-09 ] [ -6.561704737426676e-10 -2.502395604170448e-09 4.344362790010791e-09 ] [ -2.454831306175773e-09 -1.090185860945463e-09 -1.970544583359798e-09 ] [ -9.015359725527458e-10 -1.531887530268883e-10 4.624255355216771e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.237791 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.805934152963666e-18 } }