{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.2990773 -18.5278106 -3.1673563 ] [ -9.9672384 2.763698 11.2559856 ] [ -10.6173958 4.6102797 -4.6302486 ] [ 6.5110213 -8.138097 -6.5559549 ] [ 11.1115618 -4.3411658 9.6298441 ] [ 3.9578105 3.1266511 -12.7479081 ] [ 12.3033179 20.5064446 6.2156382 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.130747072827199e-08 -2.968482497793042e-08 -5.07466421360359e-09 ] [ -1.596927633842e-08 4.427932322551719e-09 1.803407697238146e-08 ] [ -1.701094332454011e-08 7.386482350688838e-09 -7.418476055411931e-09 ] [ 1.043180610439082e-08 -1.303866875120262e-08 -1.05037976677992e-08 ] [ 1.780268453653437e-08 -6.955314351776529e-09 1.542871107896882e-08 ] [ 6.341111452656758e-09 5.009447293818603e-09 -2.042440032192695e-08 ] [ 1.971208829765015e-08 3.285494611385041e-08 9.958550207391395e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.8324559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.538094622427023e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7300967 1.0683706 2.461208 ] [ 1.9062871 2.7479649 4.4471485 ] [ 1.3842895 3.6227474 2.0718471 ] [ 4.0606449 1.5514043 2.1269434 ] [ 4.2965022 2.6563011 4.296552 ] [ 3.6228766 3.7851845 1.2312821 ] [ 4.780508 4.6897322 3.1245339 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7300967e-10 1.0683706e-10 2.461208e-10 ] [ 1.9062871e-10 2.7479649e-10 4.4471485e-10 ] [ 1.3842895e-10 3.622747400000001e-10 2.0718471e-10 ] [ 4.0606449e-10 1.5514043e-10 2.1269434e-10 ] [ 4.2965022e-10 2.6563011e-10 4.296552e-10 ] [ 3.6228766e-10 3.7851845e-10 1.2312821e-10 ] [ 4.780508000000001e-10 4.689732200000001e-10 3.1245339e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 -9e-06 7e-07 ] [ -6.5e-06 1.03e-05 7.8e-06 ] [ -9.4e-06 1.21e-05 3.7e-06 ] [ 2.73e-05 -6.4e-06 -7.9e-06 ] [ -1.27e-05 -3.5e-06 -1.52e-05 ] [ -1.05e-05 -1.51e-05 -4e-06 ] [ 1.41e-05 1.17e-05 1.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-15 -1.44195895872e-14 1.12152363456e-15 ] [ -1.04141480352e-14 1.650241919424e-14 1.249697764224e-14 ] [ -1.506046023552e-14 1.938633711168e-14 5.928053496960001e-15 ] [ 4.373942174784e-14 -1.025393037312e-14 -1.265719530432e-14 ] [ -2.034764308416e-14 -5.6076181728e-15 -2.435308463616e-14 ] [ -1.68228545184e-14 -2.419286697408e-14 -6.4087064832e-15 ] [ 2.259069035328e-14 1.874546646336e-14 2.387243164992e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }