{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1852569 -15.7473382 -0.673087 ] [ 28.1563683 5.8350561 -27.5015265 ] [ -48.2660616 4.6016931 19.715314 ] [ 14.3272196 23.2187913 11.9376767 ] [ -18.6346439 -52.8292668 -38.742573 ] [ -8.744395 27.9440293 -40.1520147 ] [ 28.9762558 6.9770351 75.4162106 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.705520757221883e-09 -2.523001710387076e-08 -1.07840425516441e-09 ] [ 4.511147501689425e-08 9.348790464476428e-09 -4.406230279461165e-08 ] [ -7.733075547361264e-08 7.372725100916678e-09 3.158741516253093e-08 ] [ 2.295473628418753e-08 3.720060458409444e-08 1.91262665154089e-08 ] [ -2.985599079351333e-08 -8.464181616096562e-08 -6.207244469023731e-08 ] [ -1.401006523204042e-08 4.477127043541019e-08 -6.433061923035793e-08 ] [ 4.64250796010804e-08 1.117844251972099e-08 1.208300894526491e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 26.296959 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.213237290793615e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0961416 1.7275932 3.7918419 ] [ 1.8431244 3.7315358 0.5607082 ] [ 0.8308288 3.9980527 3.0521657 ] [ 3.0103225 5.4267275 3.7675795 ] [ 3.6546908 1.7200938 1.4182502 ] [ 4.3857062 4.6780648 1.3988433 ] [ 4.5880287 3.0756294 3.9825732 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0961416e-10 1.7275932e-10 3.7918419e-10 ] [ 1.8431244e-10 3.7315358e-10 5.607082e-11 ] [ 8.308288000000001e-11 3.9980527e-10 3.0521657e-10 ] [ 3.0103225e-10 5.4267275e-10 3.7675795e-10 ] [ 3.6546908e-10 1.7200938e-10 1.4182502e-10 ] [ 4.3857062e-10 4.6780648e-10 1.3988433e-10 ] [ 4.5880287e-10 3.0756294e-10 3.9825732e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.78e-05 -2.8e-06 -1.49e-05 ] [ 2.67e-05 1.82e-05 4.03e-05 ] [ -9e-07 7.6e-06 -7.8e-06 ] [ 9e-07 1.7e-05 -2.66e-05 ] [ 7.1e-06 -2.06e-05 5.7e-06 ] [ -3.85e-05 -1.32e-05 2.83e-05 ] [ -1.33e-05 -6.2e-06 -2.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851874385024e-14 -4.48609453824e-15 -2.387243164992e-14 ] [ 4.277811577536e-14 2.915961449856e-14 6.456771781824e-14 ] [ -1.44195895872e-15 1.217654231808e-14 -1.249697764224e-14 ] [ 1.44195895872e-15 2.72370025536e-14 -4.261789811328e-14 ] [ 1.137545400768e-14 -3.300483838848e-14 9.13240673856e-15 ] [ -6.16837999008e-14 -2.114873139456e-14 4.534159836864e-14 ] [ -2.130894905664e-14 -9.93349504896e-15 -4.005441552e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148554877298047e-18 } }