{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.36318589999999995 -1.0342489999999998 1.6052670999999998 ] [ 0.8752966999999999 -1.5364953999999997 -3.1857567999999996 ] [ -0.49426999999999993 0.5456167999999999 2.9717049999999996 ] [ -0.8802246999999999 0.6685547999999999 -0.5150823999999999 ] [ -1.0362005999999997 -3.2021251999999993 -2.5163584999999995 ] [ 2.6961319999999995 3.1239356999999996 1.9513611999999998 ] [ -0.040585699999999995 -1.3362548999999997 0.7765142999999999 ] [ -0.7569617999999999 2.7710170999999995 -1.0876498999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.818879627782605e-10 -1.657049581537865e-09 2.571921438948941e-09 ] [ 1.402379920557307e-09 -2.461737028128483e-09 -5.10414510656661e-09 ] [ -7.919078448871798e-10 8.74174488077851e-10 4.761196314140969e-09 ] [ -1.41027544700966e-09 1.071142879108543e-09 -8.252529858646414e-10 ] [ -1.66017638945678e-09 -5.130370174582575e-09 -4.031650791467288e-09 ] [ 4.319679692579687e-09 5.005096784658433e-09 3.1264253191342e-09 ] [ -6.502546021453379e-11 -2.140916377848006e-09 1.244113067426866e-09 ] [ -1.212786508790581e-09 4.43965885003444e-09 -1.742607255752436e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.781363 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.732806373127214e-18 } }