{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8164278 0.1663691 0.8726527 ] [ 0.2293415 1.783801 2.502887 ] [ 2.371717 0.4239938 0.3261347 ] [ 1.905698 2.704881 0.8462502 ] [ 2.020767 2.181943 2.752956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.164278e-11 1.663691e-11 8.726527e-11 ] [ 2.293415e-11 1.783801e-10 2.502887e-10 ] [ 2.371717e-10 4.239938e-11 3.261347e-11 ] [ 1.905698e-10 2.704881e-10 8.462502e-11 ] [ 2.020767e-10 2.181943e-10 2.752956e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.558409 -4.3307963 7.1902396 ] [ -12.1263322 -2.5156064 -0.7109939 ] [ 21.461017 3.7035825 -6.7524093 ] [ 0.1753898 3.2774449 -7.8896167 ] [ 12.0483344 -0.1346248 8.1627803 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.454037888144431e-08 -6.938700581307143e-09 1.152003378507034e-08 ] [ -1.942852594689423e-08 -4.030445761214853e-09 -1.139137804111413e-09 ] [ 3.438433969599135e-08 5.933793294704017e-09 -1.081855231453249e-08 ] [ 2.810054370867879e-10 5.251045594740194e-09 -1.264055942381325e-08 ] [ 1.93035596952604e-08 -2.156927071398758e-10 1.307821575738681e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.8492208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.769308194857073e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6695544 0.2250823 1.1216894 ] [ -0.0795061 2.1798484 2.4780457 ] [ 3.0170895 0.7245393 0.4423112 ] [ 1.4321688 2.6476633 0.5498556 ] [ 2.3046447 1.4838546 2.7089787 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.695544e-11 2.250823e-11 1.1216894e-10 ] [ -7.95061e-12 2.1798484e-10 2.4780457e-10 ] [ 3.0170895e-10 7.245393e-11 4.423112000000001e-11 ] [ 1.4321688e-10 2.6476633e-10 5.498556e-11 ] [ 2.3046447e-10 1.4838546e-10 2.7089787e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.13e-05 -3.46e-05 -8.5e-06 ] [ -3.91e-05 3.42e-05 2.17e-05 ] [ -1.57e-05 1.12e-05 -8.1e-06 ] [ 1.71e-05 6.1e-06 -2e-05 ] [ 1.65e-05 -1.68e-05 1.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.412636202304e-14 -5.543531107968001e-14 -1.36185012768e-14 ] [ -6.264510587328001e-14 5.479444043136e-14 3.476723267136e-14 ] [ -2.515417294656e-14 1.794437815296e-14 -1.297763062848e-14 ] [ 2.739722021568e-14 9.77327738688e-15 -3.2043532416e-14 ] [ 2.64359142432e-14 -2.691656722944e-14 2.4032649312e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }