{ "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" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2408492 -0.5962396 0.3191744 ] [ 0.1362428 -0.02706 2.6428288 ] [ -0.6038968 0.2754595 -0.6805383 ] [ -0.2003227 -1.2866515 -2.1369223 ] [ -2.2621534 0.6416077 0.8472204 ] [ 4.0501904 -0.6143758 -2.1089268 ] [ -1.9711674 3.0698473 1.6011495 ] [ 2.0919564 -1.4625876 -0.4839857 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.988059578178383e-09 -9.552811475151436e-10 5.113737616378675e-10 ] [ 2.182850289123303e-10 -4.335489935884801e-11 4.234278516136919e-09 ] [ -9.675493343359335e-10 4.413347708772576e-10 -1.090342553818977e-09 ] [ -3.209523465555321e-10 -2.061442952417251e-09 -3.423726949526164e-09 ] [ -3.624369290143231e-09 1.02796885666526e-09 1.357396717544824e-09 ] [ 6.489120368668601e-09 -9.843385431452966e-10 -3.378873213938557e-09 ] [ -3.158158323963122e-09 4.918437573486004e-09 2.56532429530561e-09 ] [ 3.351683635812933e-09 -2.343323658591982e-09 -7.754305733415226e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.359029 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.825358621878921e-18 } }