{ "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" [ 5.46856 0 0 ] "si-unit" "m" "si-value" [ 5.46856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.109414 5.47364 0 ] "si-unit" "m" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0853482 0.188746 5.50226 ] "si-unit" "m" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0633558 -0.9298702 -0.4130129 ] [ -0.2175943 -0.1663779 1.7720976 ] [ 1.0888668 -0.517305 -0.131455 ] [ -1.0523202 0.1624804 -0.7643667 ] [ -0.1706608 -0.2744681 -1.434591 ] [ 0.3292808 0.538112 0.6555755 ] [ 0.093336 -1.0825275 -1.105147 ] [ 0.9924475 2.2699562 1.4208996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.703683802352081e-09 -1.48981629481862e-09 -6.617196124688084e-10 ] [ -3.486245002793414e-10 -2.665667815978003e-10 2.83921334449579e-09 ] [ 1.744556930125309e-09 -8.28813976822944e-10 -2.10614127687264e-10 ] [ -1.68600282203558e-09 2.603222982182323e-10 -1.224650456458047e-09 ] [ -2.734287438470247e-10 -4.397463729753965e-10 -2.298468160610093e-09 ] [ 5.275659994383206e-10 8.621504657719296e-10 1.05034773926927e-09 ] [ 1.495407570789888e-10 -1.734400251873072e-09 -1.770640685947258e-09 ] [ 1.590076181871408e-09 3.636870753880009e-09 2.276532119624072e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.200663 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.799985591605959e-18 } }