{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1780564 -7.7427157 -6.7635044 ] [ 2.1505747 2.7538768 10.8907628 ] [ -19.2380683 -21.2166869 -15.7001759 ] [ 1.1304368 6.9159616 25.106767 ] [ 10.2711083 10.5029783 -11.5584495 ] [ 7.5269225 1.0176908 5.7370402 ] [ 3.7267052 4.7961252 -5.9855452 ] [ -0.3896229 2.9727698 -1.7268949 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.296160973614156e-09 -1.240519817824495e-08 -1.083632871363619e-08 ] [ 3.445600534011559e-09 4.412197061874691e-09 1.744892568459641e-08 ] [ -3.082278351355609e-08 -3.399288000207389e-08 -2.515445497666992e-08 ] [ 1.811159427173731e-09 1.108059207716125e-08 4.022547544268228e-08 ] [ 1.645612972354346e-08 1.682762641966904e-08 -1.851867771416898e-08 ] [ 1.205945935542886e-08 1.630520420396767e-09 9.191751756758686e-09 ] [ 5.970839993246296e-09 7.684239729178576e-09 -9.589900661190856e-09 ] [ -6.242447064513186e-10 4.762902311820853e-09 -2.766790658153767e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.789527 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.491067102531211e-18 } }