{ "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" [ [ 1.5533971 -1.4421923 -2.9507377 ] [ 0.7830801 -3.703019 2.4805648 ] [ -0.9622659 2.3691295 -0.8306531 ] [ -5.5816999 2.0180132 0.3384758 ] [ 4.2074885 0.7580686 0.9623502 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.48881651643852e-09 -2.31064678575778e-09 -4.727602957053164e-09 ] [ 1.254632628433726e-09 -5.932890468178195e-09 3.974302928939428e-09 ] [ -1.541719927973071e-09 3.795763896547594e-09 -1.330852976815044e-09 ] [ -8.942869084101699e-09 3.233213569505795e-09 5.422980134665766e-10 ] [ 6.741139706984862e-09 1.214559787882587e-09 1.541854991462204e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3187922 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.33281743761334e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2250742 1.8985358 1.5301321 ] [ 1.9452306 1.7716462 4.1164227 ] [ 1.5768133 5.2982112 2.9381817 ] [ 0.3731613 3.227594 2.7063572 ] [ 3.3263681 3.6497957 3.0466114 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2250742e-10 1.8985358e-10 1.5301321e-10 ] [ 1.9452306e-10 1.7716462e-10 4.1164227e-10 ] [ 1.5768133e-10 5.2982112e-10 2.9381817e-10 ] [ 3.731613e-11 3.227594e-10 2.7063572e-10 ] [ 3.3263681e-10 3.6497957e-10 3.0466114e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.6e-06 1.4e-06 -2e-07 ] [ 6.3e-06 4.5e-06 -0.0 ] [ -3.9e-06 -8e-07 -0.0 ] [ 6e-06 4e-07 -5.5e-06 ] [ -9e-07 -5.6e-06 5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.217654231808e-14 2.24304726912e-15 -3.2043532416e-16 ] [ 1.009371271104e-14 7.2097947936e-15 0.0 ] [ -6.24848882112e-15 -1.28174129664e-15 0.0 ] [ 9.6130597248e-15 6.408706483200001e-16 -8.8119714144e-15 ] [ -1.44195895872e-15 -8.972189076479999e-15 9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.744302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.721426947121468e-18 } }