{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5895612000000001 0.27944140000000006 -1.0654268000000002 ] [ 0.9010754000000002 -0.44985000000000014 -0.7018448000000002 ] [ -0.29510660000000005 -0.024208200000000006 1.2859208000000002 ] [ -0.18929340000000006 0.7154733000000001 -0.05137550000000001 ] [ -1.9704530000000005 -3.228669200000001 -2.6249388000000002 ] [ 2.2754131000000006 2.9686974000000004 2.4662360000000003 ] [ 0.4380506000000001 -0.35372500000000007 0.13179810000000003 ] [ -1.7492473000000004 0.09284040000000002 0.5596309000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.445811711707932e-10 4.477144779636212e-10 -1.707001910133758e-09 ] [ 1.443681939458009e-09 -7.207391528668802e-10 -1.124479329990052e-09 ] [ -4.728128951637773e-10 -3.878581207165057e-11 2.060272241960433e-09 ] [ -3.032814599517428e-10 1.146314594066625e-09 -8.231262498191041e-11 ] [ -3.157013728985223e-09 -5.172898308537042e-09 -4.205615576390807e-09 ] [ 3.645613671482054e-09 4.756377568509746e-09 3.951345660575309e-09 ] [ 7.018344300474128e-10 -5.667299251924801e-10 2.111638344858605e-10 ] [ -2.802603128057525e-09 1.487467183457204e-10 8.96627544257263e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.378295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.066051092476554e-18 } }