{ "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" [ 5.21631 0 0 ] "si-unit" "m" "si-value" [ 5.21631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.340777 5.491 0 ] "si-unit" "m" "si-value" [ 3.40777e-11 5.491e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0764414 0.261433 5.31631 ] "si-unit" "m" "si-value" [ 7.644140000000001e-12 2.61433e-11 5.31631e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.102562 0.0713388 -0.561849 ] [ 1.48031 1.58239 0.779774 ] [ 0.554166 2.97803 2.26105 ] [ 1.29704 4.12978 3.93608 ] [ 3.06699 -0.246774 2.56051 ] [ 4.28292 1.50929 4.5131 ] [ 2.82838 2.54855 -0.698649 ] [ 4.65405 4.12903 1.02077 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.02562e-11 7.133879999999999e-12 -5.61849e-11 ] [ 1.48031e-10 1.58239e-10 7.79774e-11 ] [ 5.541660000000001e-11 2.97803e-10 2.26105e-10 ] [ 1.29704e-10 4.12978e-10 3.93608e-10 ] [ 3.06699e-10 -2.46774e-11 2.56051e-10 ] [ 4.28292e-10 1.50929e-10 4.5131e-10 ] [ 2.82838e-10 2.54855e-10 -6.98649e-11 ] [ 4.65405e-10 4.12903e-10 1.02077e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 389.7908444 -520.4211441 231.125943 ] [ -6.5815719 -25.5643217 -16.3179213 ] [ -11.5863679 -30.7303404 35.4385195 ] [ -6.9049278 22.3183997 -22.3883037 ] [ 5.6793187 35.4942104 31.8764351 ] [ -335.8980851 478.9387571 -269.5812407 ] [ -27.8457261 2.2462891 58.8484069 ] [ -6.6534843 37.7181498 -49.0018388 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.245137778995706e-07 -8.338065900470079e-07 3.703045823349534e-07 ] [ -1.054484062629424e-08 -4.095855855435011e-08 -2.614419200691434e-08 ] [ -1.85634077693676e-08 -4.923543293810572e-08 5.67787674186649e-08 ] [ -1.106291388947198e-08 3.575801821300974e-08 -3.587001676751015e-08 ] [ 9.09927164321225e-09 5.686799407663622e-08 5.107167907166851e-08 ] [ -5.381680589187088e-07 7.673444794206299e-07 -4.319167612557975e-07 ] [ -4.461377134662037e-08 3.598951879577873e-09 9.42855417065054e-08 ] [ -1.066005699231985e-08 6.04311377893922e-08 -7.850960050157033e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 144.83427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.320500812846348e-17 } }