{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2840068 -6.2215596 -5.3783188 ] [ -5.5416719 -3.0505052 1.8723252 ] [ 2.2785181 2.4939143 3.1722967 ] [ -4.2890911 6.5409325 1.7942927 ] [ -1.5800834 -1.4163973 -1.1845014 ] [ 5.6060681 0.3810949 -1.5779805 ] [ 0.2422533 1.2725204 1.3018861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.26155896085711e-09 -9.968037418158385e-09 -8.617016711562917e-09 ] [ -8.878737231474385e-09 -4.887448153335496e-09 2.999795686689376e-09 ] [ 3.650588459966075e-09 3.995691218658466e-09 5.082579648855307e-09 ] [ -6.871881541517358e-09 1.04797292160712e-08 2.874773838496771e-09 ] [ -2.531572703251275e-09 -2.269318658520688e-09 -1.897780466020288e-09 ] [ 8.981911318432774e-09 6.105813441165665e-10 -2.528203486007637e-09 ] [ 3.881325767693921e-10 2.038802451168333e-09 2.085851489549387e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.742941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.041644231864059e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8590384 0.8481244 2.2517842 ] [ 0.6695484 0.8552072 4.322318 ] [ 2.1557394 2.6251977 4.9226673 ] [ 2.5074534 3.1987988 2.5588393 ] [ 4.1938839 0.4450437 2.6931723 ] [ 4.9172891 2.8385655 2.5308129 ] [ 4.4245324 1.8265052 4.7694619 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8590384e-10 8.481244e-11 2.2517842e-10 ] [ 6.695484e-11 8.552072e-11 4.322318e-10 ] [ 2.1557394e-10 2.6251977e-10 4.9226673e-10 ] [ 2.5074534e-10 3.1987988e-10 2.5588393e-10 ] [ 4.193883900000001e-10 4.450437e-11 2.6931723e-10 ] [ 4.9172891e-10 2.8385655e-10 2.5308129e-10 ] [ 4.424532400000001e-10 1.8265052e-10 4.7694619e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.5e-06 1.01e-05 1.41e-05 ] [ -1.07e-05 -1.92e-05 1.69e-05 ] [ -6.3e-06 -1.2e-05 -2.75e-05 ] [ 6.3e-06 1.58e-05 -4.3e-06 ] [ 2.07e-05 8.35e-05 4.16e-05 ] [ -1.04e-05 -8e-05 6.68e-05 ] [ 9.9e-06 1.8e-06 -0.0001077 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.5220678023e-14 1.61819840034e-14 2.25906905394e-14 ] [ -1.71432899838e-14 -3.076179137279999e-14 2.70767851146e-14 ] [ -1.00937127942e-14 -1.9226119608e-14 -4.4059857435e-14 ] [ 1.00937127942e-14 2.53143908172e-14 -6.8893595262e-15 ] [ 3.316505632379999e-14 1.33781748939e-13 6.665054797439999e-14 ] [ -1.66626369936e-14 -1.2817413072e-13 1.070253991512e-13 ] [ 1.58615486766e-14 2.8839179412e-15 -1.725544234818e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.063307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.894060840816863e-18 } }