{ "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" [ [ 0.0795215 1.172985 2.972487 ] [ 0.7048054 0.2310616 1.565444 ] [ 0.5328429 2.146868 1.561816 ] [ 2.937455 0.8293126 0.8336996 ] [ 1.506301 0.8690976 0.2004578 ] [ 2.979161 2.931887 0.4386378 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.95215e-12 1.172985e-10 2.972487e-10 ] [ 7.048054e-11 2.310616e-11 1.565444e-10 ] [ 5.328429e-11 2.146868e-10 1.561816e-10 ] [ 2.937455e-10 8.293126e-11 8.336996000000001e-11 ] [ 1.506301e-10 8.690976e-11 2.004578e-11 ] [ 2.979161e-10 2.931887e-10 4.386378e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.6272584 -1.3424874 33.4365064 ] [ -8.6429177 -39.277934 9.1109435 ] [ 0.6571782 33.1995638 -13.3846805 ] [ 49.7663742 -3.3895523 19.3090973 ] [ -29.8476537 6.9118898 -48.552499 ] [ 0.6942774 3.8985202 0.0806323 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.023109819328042e-08 -2.150901925998578e-09 5.357118883530957e-08 ] [ -1.384748067443851e-08 -6.293018756812543e-08 1.459734066912972e-08 ] [ 1.052915547739427e-09 5.319156494111801e-08 -2.144462217397765e-08 ] [ 7.97345212452243e-08 -5.430661450038868e-09 3.093658426281241e-08 ] [ -4.782121294387461e-08 1.107406824310599e-08 -7.778967877921538e-08 ] [ 1.11235501862981e-09 6.246117920156541e-09 1.291871859413318e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 15.134824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.424866117272274e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1323404 1.3872656 2.8793253 ] [ 1.2235397 -0.3623024 1.8834808 ] [ 0.5919639 2.774959 1.0911427 ] [ 3.081295 0.6394066 0.7568564 ] [ 0.8143198 0.8640994 -0.2411844 ] [ 2.896628 2.8777836 1.2029214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.323404e-11 1.3872656e-10 2.8793253e-10 ] [ 1.2235397e-10 -3.623024e-11 1.8834808e-10 ] [ 5.919639e-11 2.774959e-10 1.0911427e-10 ] [ 3.081295e-10 6.394066000000001e-11 7.568564e-11 ] [ 8.143198e-11 8.640993999999999e-11 -2.411844e-11 ] [ 2.896628e-10 2.8777836e-10 1.2029214e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-06 -5.7e-06 -2.3e-06 ] [ 3.9e-06 7e-06 5.6e-06 ] [ 4.1e-06 -2e-06 -1.5e-06 ] [ -3.2e-06 -1.8e-06 -4e-07 ] [ -4.8e-06 1.4e-06 -3.9e-06 ] [ 1.2e-06 1.1e-06 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.92261194496e-15 -9.13240673856e-15 -3.68500622784e-15 ] [ 6.24848882112e-15 1.12152363456e-14 8.972189076479999e-15 ] [ 6.568924145279999e-15 -3.2043532416e-15 -2.4032649312e-15 ] [ -5.126965186560001e-15 -2.88391791744e-15 -6.408706483200001e-16 ] [ -7.69044777984e-15 2.24304726912e-15 -6.24848882112e-15 ] [ 1.92261194496e-15 1.76239428288e-15 4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.373205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.943711950016567e-18 } }