{ "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" [ [ 2.06977 2.12479 1.528563 ] [ 2.041317 1.533814 3.912889 ] [ 1.700439 5.299543 2.410292 ] [ 0.6511626 3.199571 3.041419 ] [ 2.983959 3.688065 3.444542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.06977e-10 2.12479e-10 1.528563e-10 ] [ 2.041317e-10 1.533814e-10 3.912889e-10 ] [ 1.700439e-10 5.299543e-10 2.410292e-10 ] [ 6.511626e-11 3.199571e-10 3.041419e-10 ] [ 2.983959e-10 3.688065e-10 3.444542e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4677843 0.6690178 1.8803466 ] [ 0.1489984 0.6432804 -0.8983579 ] [ -0.467734 -0.4591804 0.0979918 ] [ 0.7937066 0.6709093 -0.1437105 ] [ -0.9427554 -1.5240272 -0.9362701 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.494730752120461e-10 1.071884686890085e-09 3.012647386341344e-09 ] [ 2.387217549833855e-10 1.030648825990173e-09 -1.439328036349309e-09 ] [ -7.493924857273559e-10 -7.356881076707735e-10 1.570001722836012e-10 ] [ 1.271658168771584e-09 1.074915203993296e-09 -2.30249605160457e-10 ] [ -1.510460673457323e-09 -2.441760769420445e-09 -1.500070077332843e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.583944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.977476084436449e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1797087 2.0961062 1.6342399 ] [ 1.9904887 1.5921919 3.9402869 ] [ 1.621536 5.3314131 2.5406146 ] [ 0.6573615 3.248152 2.9792382 ] [ 2.9975527 3.5779198 3.2433255 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1797087e-10 2.0961062e-10 1.6342399e-10 ] [ 1.9904887e-10 1.5921919e-10 3.9402869e-10 ] [ 1.621536e-10 5.3314131e-10 2.5406146e-10 ] [ 6.573615000000001e-11 3.248152e-10 2.979238200000001e-10 ] [ 2.9975527e-10 3.5779198e-10 3.2433255e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.32e-05 -6.7e-06 -3.37e-05 ] [ 2.9e-06 -3.08e-05 -6.8e-06 ] [ -3.56e-05 -3.04e-05 -3.41e-05 ] [ -2.82e-05 7.97e-05 4.28e-05 ] [ 2.77e-05 -1.18e-05 3.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.31922642488e-14 -1.07345834478e-14 -5.399335256579999e-14 ] [ 4.6463122386e-15 -4.93470403272e-14 -1.08948011112e-14 ] [ -5.703748817039999e-14 -4.870616967359999e-14 -5.46342232194e-14 ] [ -4.51813810788e-14 1.276934777298e-13 6.857315993519999e-14 ] [ 4.438029276179999e-14 -1.89056842812e-14 5.09492169612e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.979559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.04086059534244e-18 } }