{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2519361 0.630526 0.2961672 ] [ 1.040527 1.338339 0.9480581 ] [ 1.471162 2.964903 0.310665 ] [ 0.0960364 2.590998 1.829013 ] [ 2.039261 0.0625187 0.2196196 ] [ 2.19391 1.549757 2.906446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.519361e-11 6.30526e-11 2.961672e-11 ] [ 1.040527e-10 1.338339e-10 9.480581e-11 ] [ 1.471162e-10 2.964903e-10 3.10665e-11 ] [ 9.60364e-12 2.590998e-10 1.829013e-10 ] [ 2.039261e-10 6.25187e-12 2.196196e-11 ] [ 2.19391e-10 1.549757e-10 2.906446e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -57.8239228 -41.5713837 -41.9352778 ] [ 45.5062181 33.9759737 42.5917358 ] [ 4.8112847 9.4328803 -6.5356043 ] [ -7.7900481 6.9852087 8.28197 ] [ 13.9296132 -9.323405 -4.0982741 ] [ 1.3668549 0.500726 1.6954504 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.264413723310408e-08 -6.66046990584462e-08 -6.718772167791326e-08 ] [ 7.29089987408458e-08 5.443551073105568e-08 6.823948333805038e-08 ] [ 7.708527862352742e-09 1.511314028346489e-08 -1.047119241225995e-08 ] [ -1.248103294072746e-08 1.119153807054876e-08 1.326917870816697e-08 ] [ 2.231770060582707e-08 -1.493774151724982e-08 -6.566158948650162e-09 ] [ 2.189942964805922e-09 8.022514906267008e-10 2.716410992606008e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.7160223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.236243053463144e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0546759 1.0125308 -0.0018891 ] [ 2.4094027 1.6061376 1.0269691 ] [ 1.0128303 3.1773531 -0.0178622 ] [ 0.0585321 2.3319601 1.9769664 ] [ 1.775685 -0.4925449 0.2677922 ] [ 1.7817066 1.501605 3.2579925 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.467590000000001e-12 1.0125308e-10 -1.8891e-13 ] [ 2.4094027e-10 1.6061376e-10 1.0269691e-10 ] [ 1.0128303e-10 3.1773531e-10 -1.78622e-12 ] [ 5.85321e-12 2.3319601e-10 1.9769664e-10 ] [ 1.775685e-10 -4.925449e-11 2.677922e-11 ] [ 1.7817066e-10 1.501605e-10 3.2579925e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-06 -4.48e-05 -3.44e-05 ] [ -1.3e-06 2.54e-05 1.67e-05 ] [ -5.2e-06 2.35e-05 -4.56e-05 ] [ 3.27e-05 2.18e-05 5.47e-05 ] [ -9.4e-06 -4.7e-06 -5.5e-06 ] [ -1.54e-05 -2.12e-05 1.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24304726912e-15 -7.177751261183999e-14 -5.511487575552001e-14 ] [ -2.08282960704e-15 4.069528616832e-14 2.675634956736e-14 ] [ -8.33131842816e-15 3.76511505888e-14 -7.305925390848e-14 ] [ 5.239117550016001e-14 3.492745033344e-14 8.763906115775999e-14 ] [ -1.506046023552e-14 -7.53023011776e-15 -8.8119714144e-15 ] [ -2.467351996032e-14 -3.396614436096001e-14 2.275090801536e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.455002 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.918123246601724e-18 } }