{ "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" [ [ 0.0068904 0.1581444 0.9739303 ] [ 1.486449 0.0094288 0.6635661 ] [ 1.283407 0.7092398 2.988588 ] [ 0.3149749 1.776241 2.685574 ] [ 2.9726 1.648627 0.444947 ] [ 2.196005 2.727691 2.654363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.8904e-13 1.581444e-11 9.739303e-11 ] [ 1.486449e-10 9.4288e-13 6.635661000000001e-11 ] [ 1.283407e-10 7.092398e-11 2.988588e-10 ] [ 3.149749e-11 1.776241e-10 2.685574e-10 ] [ 2.9726e-10 1.648627e-10 4.44947e-11 ] [ 2.196005e-10 2.727691e-10 2.654363e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -69.2627108 5.8074196 4.8907625 ] [ 63.2730929 -19.7483208 -21.1029934 ] [ 50.3071138 -58.1715279 30.1655671 ] [ -57.9876855 55.6678869 -11.0907568 ] [ 3.5060218 7.9242452 0.1093244 ] [ 10.1641678 8.5202969 -2.9719039 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.109710959369917e-07 9.304511910295688e-09 7.83586533538536e-09 ] [ 1.013746701700865e-07 -3.164029788581835e-08 -3.38107226543767e-08 ] [ 8.060088159028506e-08 -9.320106199759492e-08 4.833056636079366e-08 ] [ -9.290651400240316e-08 8.918978692051859e-08 -1.776935125193862e-08 ] [ 5.617266159975134e-09 1.269604039692662e-08 1.751569977629875e-10 ] [ 1.628479201904817e-08 1.365102049545472e-08 -4.761514947844342e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 50.390342 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.073422786651631e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.2340968 0.4219435 1.1051383 ] [ 1.7870769 -0.0443587 0.3026215 ] [ 1.7291146 -0.0520919 3.5866959 ] [ -0.0634476 2.2240234 2.48557 ] [ 3.0057524 1.6772293 0.6677753 ] [ 2.0359267 2.8026263 2.2631675 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.340968e-11 4.219435e-11 1.1051383e-10 ] [ 1.7870769e-10 -4.43587e-12 3.026215e-11 ] [ 1.7291146e-10 -5.20919e-12 3.5866959e-10 ] [ -6.344760000000001e-12 2.2240234e-10 2.48557e-10 ] [ 3.0057524e-10 1.6772293e-10 6.677753e-11 ] [ 2.0359267e-10 2.8026263e-10 2.2631675e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1103568 0.7562348 0.1899182 ] [ -0.3227913 0.608046 0.8146314 ] [ 0.1999404 -1.0201864 1.2184505 ] [ -0.1545875 -0.6392338 -1.3513221 ] [ -0.4072927 0.8726116 -0.457987 ] [ 0.5743743 -0.5774723 -0.413691 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.768110849063015e-10 1.211621716395364e-09 3.042824999044186e-10 ] [ -5.171686742576391e-10 9.741970855709568e-10 1.305183383649573e-09 ] [ 3.203398344334003e-10 -1.634518798938117e-09 1.952172904702071e-09 ] [ -2.4767647836792e-10 -1.024165449585143e-09 -2.16505667579036e-09 ] [ -6.525548417625082e-10 1.398077904558881e-09 -7.337760640303296e-10 ] [ 9.202490750483654e-10 -9.252126182196039e-10 -6.628060484353728e-10 ] ] } "relaxed-potential-energy" { "source-value" -19.644052 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.147324085217948e-18 } }