{ "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" [ 5.51526 0 0 ] "si-unit" "m" "si-value" [ 5.51526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0933018 5.35906 0 ] "si-unit" "m" "si-value" [ -9.33018e-12 5.35906e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.235006 -0.443739 5.60819 ] "si-unit" "m" "si-value" [ 2.35006e-11 -4.43739e-11 5.60819e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0139599 -0.0171452 -0.258284 ] [ 1.4668 1.50235 1.27166 ] [ -0.150248 2.65293 3.01531 ] [ 1.35939 3.8116 4.44507 ] [ 2.6266 -0.11212 2.88055 ] [ 3.83653 1.13315 3.7283 ] [ 2.72617 2.6833 0.230289 ] [ 3.93014 4.1583 1.51189 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.39599e-12 -1.71452e-12 -2.58284e-11 ] [ 1.4668e-10 1.50235e-10 1.27166e-10 ] [ -1.50248e-11 2.65293e-10 3.01531e-10 ] [ 1.35939e-10 3.8116e-10 4.44507e-10 ] [ 2.6266e-10 -1.1212e-11 2.88055e-10 ] [ 3.83653e-10 1.13315e-10 3.7283e-10 ] [ 2.72617e-10 2.6833e-10 2.30289e-11 ] [ 3.930140000000001e-10 4.1583e-10 1.51189e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5934444 4.0786543 2.4944287 ] [ -3.2925986 -1.53176 1.2652097 ] [ 0.6806337 -0.039440799999999984 -1.0320002 ] [ 3.4548347 -3.5381154 -0.8308946 ] [ -4.0583731 -1.8162164 -1.2085565 ] [ 2.8726761 1.5893762 2.393042 ] [ 2.1394773 0.8315631 -1.9808458 ] [ 2.7967944 0.4259389 -1.1003833 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.359509226624683e-09 6.53472456378539e-09 3.996515345392537e-09 ] [ -5.275324498598811e-09 -2.454150060676608e-09 2.027089401749382e-09 ] [ 1.090495401468601e-09 -6.319112766564862e-11 -1.653446593100924e-09 ] [ 5.535255385068583e-09 -5.668685775572441e-09 -1.331239902468968e-09 ] [ -6.502230499303621e-09 -2.909899454393542e-09 -1.936320969215875e-09 ] [ 4.602534486550923e-09 2.546461389295945e-09 3.834075944992474e-09 ] [ 3.427820510792308e-09 1.332310957539973e-09 -3.173664830169872e-09 ] [ 4.480958600864364e-09 6.824293474692691e-10 -1.763008397178753e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 632.46868 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.013326532484237e-16 } }