{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.658672 -7.1299337 -1.6477555 ] [ -2.5970156 -2.4313278 5.1980649 ] [ 5.5469511 9.0677294 -2.7449266 ] [ 0.3859741 2.1661016 1.5668255 ] [ 4.7754551 -5.8027722 -9.4379103 ] [ 4.6918297 4.3000113 6.9695736 ] [ -2.1445224 -0.1698086 0.0961284 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.707707508717558e-08 -1.142341308199404e-08 -2.639995338894614e-09 ] [ -4.160877678172885e-09 -3.895416558661098e-09 8.32821805618109e-09 ] [ 8.887195369140843e-09 1.452810404842081e-08 -4.397857224332034e-09 ] [ 6.183986792543213e-10 3.470477341797474e-09 2.510331184973271e-09 ] [ 7.651122514900126e-09 -9.297065954668181e-09 -1.512119923186751e-08 ] [ 7.517139854115079e-09 6.889377574035816e-09 1.116648787886489e-08 ] [ -3.435903652061906e-09 -2.720633689307789e-10 1.540146750749107e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.519464 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.646709900894725e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.387246 2.2977001 2.3713997 ] [ 2.2619758 1.3796 4.5990879 ] [ 2.5186654 4.5215475 2.1766227 ] [ 2.0161744 3.930749 4.5561115 ] [ 3.7421309 1.1998721 2.5140496 ] [ 4.3710816 2.832977 4.6987912 ] [ 4.7377939 3.4869903 2.3110584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.387246e-10 2.2977001e-10 2.3713997e-10 ] [ 2.2619758e-10 1.3796e-10 4.5990879e-10 ] [ 2.5186654e-10 4.5215475e-10 2.1766227e-10 ] [ 2.0161744e-10 3.930749e-10 4.5561115e-10 ] [ 3.7421309e-10 1.1998721e-10 2.5140496e-10 ] [ 4.3710816e-10 2.832977e-10 4.698791199999999e-10 ] [ 4.7377939e-10 3.4869903e-10 2.3110584e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.1e-05 1.93e-05 1.46e-05 ] [ -4.16e-05 -2.8e-06 8.6e-06 ] [ 3e-06 -5.17e-05 -5e-07 ] [ -1.11e-05 -4e-07 1.27e-05 ] [ 9.3e-06 2.79e-05 -1.8e-06 ] [ 1.11e-05 -5.3e-06 -3.04e-05 ] [ 8.4e-06 1.31e-05 -3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.36457090368e-14 3.092200878144e-14 2.339177866368e-14 ] [ -6.665054742528e-14 -4.48609453824e-15 1.377871893888e-14 ] [ 4.8065298624e-15 -8.283253129536002e-14 -8.010883104e-16 ] [ -1.778416049088e-14 -6.408706483200001e-16 2.034764308416e-14 ] [ 1.490024257344e-14 4.470072772032e-14 -2.88391791744e-15 ] [ 1.778416049088e-14 -8.491536090240001e-15 -4.870616927232e-14 ] [ 1.345828361472e-14 2.098851373248e-14 -5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.53667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450554916388474e-18 } }