{ "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" [ [ -166.5175603 153.8206602 130.6107356 ] [ -65.1570313 -65.2705076 55.8773683 ] [ 11.7213278 11.1891375 -9.3515601 ] [ 171.4037813 -150.3508493 -131.1193583 ] [ -112.2653406 -102.5748624 -70.4085151 ] [ 93.0081843 96.9103779 88.4747517 ] [ 58.3830181 57.4858091 -63.0120626 ] [ 9.4236207 -1.2097654 -1.0713595 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.667905420653143e-07 2.46447865568461e-07 2.092614670038103e-07 ] [ -1.043930722295938e-07 -1.045748813044687e-07 8.952541312209104e-08 ] [ 1.87796373658931e-08 1.792697450941656e-08 -1.498285096022611e-08 ] [ 2.746191311155762e-07 -2.40888615665884e-07 -2.100763704025584e-07 ] [ -1.79868904035469e-07 -1.64343046419057e-07 -1.128068767984638e-07 ] [ 1.490155384285176e-07 1.55267541784273e-07 1.417521787048251e-07 ] [ 9.353990665156324e-08 9.21024193677919e-08 -1.009564535261061e-07 ] [ 1.509830476882693e-08 -1.93825784053276e-09 -1.716507143371978e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 45.165443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.236301684267502e-18 } }