{ "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" [ [ 39.781306 -49.5543204 13.7346503 ] [ -0.6140328 -3.020691 0.2038581 ] [ 2.1134253 -4.7718569 3.1877482 ] [ 2.2362429 0.1207431 -1.4919026 ] [ -1.222452 1.1289332 0.7792243 ] [ -30.8011142 43.8207511 -13.5346988 ] [ -6.6189494 8.9770427 2.0043357 ] [ -4.8744257 3.2993981 -4.8832153 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.373667841809077e-08 -7.939477360451251e-08 2.200533560552371e-08 ] [ -9.837889965643623e-10 -4.839680498860972e-09 3.266166817807085e-10 ] [ 3.386080605467226e-09 -7.645357562983164e-09 5.107335639037283e-09 ] [ 3.582856092809993e-09 1.934517719429165e-10 -2.390291466230734e-09 ] [ -1.958584014450202e-09 1.808750379484931e-09 1.248454955819245e-09 ] [ -4.934882506583089e-08 7.02085829183159e-08 -2.168497798692981e-08 ] [ -1.060472598293819e-08 1.438280793786331e-08 3.211299798774803e-09 ] [ -7.809690896366675e-09 5.286218498531941e-09 -7.823773387992858e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4730255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.197310674274223e-18 } }