{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4021769 -1.5952923 -0.8015424 ] [ 0.0952437 0.8991402 1.054417 ] [ -2.0409197 -2.4342377 -2.6268489 ] [ 0.1806745 4.5857208 -0.7700325 ] [ -1.0791888 -1.8410062 -0.5711299 ] [ 0.3629635 1.2317057 2.3670518 ] [ 2.155991 -3.7545267 -0.3352583 ] [ 1.7274127 2.9084962 1.6833433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.246535047405819e-09 -2.55594002640226e-09 -1.284212493859922e-09 ] [ 1.525972294184889e-10 1.440581407261436e-09 1.689362265974074e-09 ] [ -3.26991382827015e-09 -3.900078732409964e-09 -4.208675893954197e-09 ] [ 2.894724598747296e-10 7.347134655276273e-09 -1.233728068756176e-09 ] [ -1.729051064789207e-09 -2.949617092387849e-09 -9.150509732198419e-10 ] [ 5.815316339037407e-10 1.973410076246099e-09 3.792435054182558e-09 ] [ 3.454278374855213e-09 -6.015414900909376e-09 -5.371430101891527e-10 ] [ 2.767620242413004e-09 4.659924613325641e-09 2.697013280040321e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.248865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.64749074127354e-18 } }