{ "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" [ [ -0.24405139999999997 -0.7187468999999999 0.8946089999999999 ] [ 0.6299236999999999 -1.2460650999999998 -2.1679415999999994 ] [ -0.25554689999999997 0.5206979999999999 2.0694300999999995 ] [ -0.6232906999999999 0.48436549999999995 -0.19214719999999996 ] [ -0.7837028999999999 -2.2189746999999995 -1.7972218999999998 ] [ 1.8480827999999998 2.1496598999999996 1.4949066999999998 ] [ 0.015799999999999998 -0.7306931999999999 0.5094697999999999 ] [ -0.5872146999999999 1.7597564999999997 -0.8111048999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.910134505749876e-10 -1.151559488939934e-09 1.433321636366106e-09 ] [ 1.009249033342825e-09 -1.996416387662873e-09 -3.473425375396573e-09 ] [ -4.094312720711345e-10 8.342501689705318e-10 3.315592551916282e-09 ] [ -9.986217957295034e-10 7.760390864157269e-10 -3.078537541285247e-10 ] [ -1.255630474378038e-09 -3.555189415777159e-09 -2.879466934293084e-09 ] [ 2.960955079857294e-09 3.444134862826776e-09 2.395104584750047e-09 ] [ 2.53143908172e-11 -1.170699571662689e-09 8.162606092886529e-10 ] [ -9.408216714813194e-10 2.81944074582962e-09 -1.299533318502906e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.156764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.792952244185237e-18 } }